{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.180035 1.415878 2.755479 ] [ 0.3300308 2.592052 2.653614 ] [ 2.100058 3.620481 1.423788 ] [ 2.171562 4.236408 3.751897 ] [ 3.719666 3.140383 2.648489 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.180035e-10 1.415878e-10 2.755479e-10 ] [ 3.300308e-11 2.592052e-10 2.653614e-10 ] [ 2.100058e-10 3.620481e-10 1.423788e-10 ] [ 2.171562e-10 4.236408e-10 3.751897e-10 ] [ 3.719666e-10 3.140383e-10 2.648489e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.1388572 -3.3062223 0.5823922 ] [ -1.1319672 1.1195286 0.2951147 ] [ -4.1399471 2.2714762 -5.5905968 ] [ -2.0190349 2.0414862 2.7124482 ] [ 6.1520919 -2.1262687 2.0006417 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.82465038026975e-09 -5.297152072227604e-09 9.330951669762779e-10 ] [ -1.813611383352438e-09 1.793682549236955e-09 4.728258727944058e-10 ] [ -6.632926454968759e-09 3.639306062343625e-09 -8.957123489279293e-09 ] [ -3.234850513359266e-09 3.270821461325833e-09 4.345821091171042e-09 ] [ 9.856737811193052e-09 -3.406658000678808e-09 3.205381358337567e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.888766 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.904790293536194e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2745257 1.2195563 2.9006084 ] [ 0.5537968 2.8543379 2.6786767 ] [ 2.002111 3.6697688 0.969836 ] [ 2.0241742 4.1137957 4.0695136 ] [ 3.6467441 3.1477432 2.6146323 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2745257e-10 1.2195563e-10 2.9006084e-10 ] [ 5.537968e-11 2.8543379e-10 2.6786767e-10 ] [ 2.002111e-10 3.6697688e-10 9.698360000000001e-11 ] [ 2.0241742e-10 4.1137957e-10 4.0695136e-10 ] [ 3.6467441e-10 3.1477432e-10 2.6146323e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4e-07 -1.13e-05 3.1e-06 ] [ 1.89e-05 3.2e-06 -7.9e-06 ] [ 6.1e-06 -3e-07 2.01e-05 ] [ -8e-07 5.2e-06 -1.8e-06 ] [ -2.38e-05 3.2e-06 -1.36e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.408706483200001e-16 -1.810459581504e-14 4.96674752448e-15 ] [ 3.028113813312e-14 5.126965186560001e-15 -1.265719530432e-14 ] [ 9.77327738688e-15 -4.8065298624e-16 3.220375007808e-14 ] [ -1.28174129664e-15 8.33131842816e-15 -2.88391791744e-15 ] [ -3.813180357504e-14 5.126965186560001e-15 -2.178960204288e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.103084 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.259563146597855e-18 } }